KEGG   COMPOUND: C16414
Entry
C16414                      Compound                               
Name
2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene;
4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol
Formula
C7H9N3O4
Exact mass
199.0593
Mol weight
199.1641
Structure
Reaction
R08048
Pathway
map00633  Nitrotoluene degradation
Other DBs
PubChem: 47205712
NIKKAJI: J2.802.586F
LinkDB
KCF data

ATOM        14
            1   C8y C    28.0292  -23.7100
            2   C8x C    28.0292  -25.1102
            3   C8y C    29.2458  -25.8138
            4   C8y C    30.4549  -25.1102
            5   C8y C    30.4549  -23.7100
            6   C8y C    29.2458  -23.0134
            7   C1a C    29.2475  -21.6135
            8   N2b N    31.6690  -23.0144 #+
            9   N1b N    29.2475  -27.2137
            10  O3a O    32.8820  -23.7117
            11  O3a O    31.6700  -21.6143 #-
            12  N1a N    26.8031  -22.9986
            13  O1b O    30.4721  -27.9187
            14  O1a O    31.6733  -25.8108
BOND        14
            1     6   7 1
            2     1   2 2
            3     5   8 1
            4     2   3 1
            5     3   9 1
            6     3   4 2
            7     8  10 2
            8     4   5 1
            9     8  11 1
            10    5   6 2
            11    6   1 1
            12    1  12 1
            13    9  13 1
            14    4  14 1

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